5-[bis(azanyl)methylideneamino]-2-[2,3-bis(oxidanylidene)propanoylamino]pentanoic acid; 2H-pyrrole

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2,3-bis(oxidanylidene)propanoylamino]pentanoic acid; 2H-pyrrole Openeye Name: 2-(2,3-dioxopropanoylamino)-5-guanidino-pentanoic acid; 2H-pyrrole CAS Name: 5-(diaminomethylideneamino)-2-(1,2,3-trioxopropylamino)pentanoic acid; 2H-pyrrole IUPAC Name: 5-(diaminomethylideneamino)-2-(2,3-dioxopropanoylamino)pentanoic acid; 2H-pyrrole Traditional Name: 2-(2,3-diketopropanoylamino)-5-guanidino-valeric acid; 2H-pyrrole Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=N1.C(CC(C(=O)O)NC(=O)C(=O)C=O)CN=C(N)N

Isomeric SMILES

C1C=CC=N1.C(CC(C(=O)O)NC(=O)C(=O)C=O)CN=C(N)N

InChI

InChI=1S/C9H14N4O5.C4H5N/c10-9(11)12-3-1-2-5(8(17)18)13-7(16)6(15)4-14;1-2-4-5-3-1/h4-5H,1-3H2,(H,13,16)(H,17,18)(H4,10,11,12);1-3H,4H2